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CS-W001157 4
Total: USD 88.00

5-Bromo-2-methylbenzotrifluoride

  • CAS No. 86845-27-4

  • Cat. No. CS-W012830
  • Purity≥98%
  • MDL No.MFCD01631587
  • HazMat Fee +

    HazMat Fee

    An item is classified as a dangerous good if our website displays Hazardous Material (HazMat) information for it. There is a HazMat shipping fee for each item that qualifies as a dangerous good, except in the following scenarios:

    The shipment is processed through FedEx Ground under the Limited Quantity option.

    Each bottle is packed as an Excepted Quantity, with a maximum of 1g for items in class 6.1 packing group I or II, and up to 25g for all other hazardous materials.

    If shipping is charged to your FedEx account, the HazMat fee will be billed directly by the courier. Otherwise, the fee will be included on your invoice. To help you avoid the HazMat fee, we can package a 5g order of a class 6.1 packing group I or II material as five separate 1g units, and a 100g order of any other dangerous good as four 25g units. This packaging adjustment will be made unless you instruct otherwise on your purchase order. Below, you will find the fee schedule from FedEx for handling hazardous materials.

    Type
    HazMat Fee
    Excepted Quantity $0.00
    FedEx Limited Quantities Ground $0.00
    Hazmat Ground shipping $50.00+
    Inaccessible (Haz class 6.1 or 9), Domestic $68.00+
    Accessible (Haz class 3, 4, 5 or 8), Domestic $158.00+
    Inaccessible (Haz class 6.1 or 9), International $108.00+
    Accessible (Haz class 3, 4, 5 or 8), International $238.00+

    An item is classified as a dangerous good if our website displays Hazardous Material (HazMat) information for it.

    There is a HazMat shipping fee for each item that qualifies as a dangerous good. Please contact our quotation team via email to confirm the details.

*For research and further manufacturing use only, not for direct human use.

5-Bromo-2-methylbenzotrifluoride|CS-W012830

Structure of 86845-27-4

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Description

5-Bromo-2-methylbenzotrifluoride is a fluorinated aromatic building block featuring a bromine atom and a methyl group at meta and ortho positions relative to the trifluoromethyl group. This combination imparts enhanced electron deficiency and steric profile, enabling efficient coupling in palladium-catalyzed cross-coupling reactions. The molecule exhibits bench-stable handling characteristics and tolerates a range of reaction conditions, making it suitable for synthesizing complex fluorinated scaffolds in medicinal chemistry and materials science applications.

Application

5-Bromo-2-methylbenzotrifluoride serves as a versatile building block in medicinal chemistry and materials science, enabling palladium-catalyzed cross-coupling reactions due to its stable trifluoromethyl and bromo functional groups. The methyl substituent enhances electron density at the aromatic ring, improving reactivity in Suzuki-Miyaura and Stille couplings. Its bench-stable nature and compatibility with diverse reaction conditions make it ideal for constructing complex fluorinated scaffolds in API development.

General Information

  • CAS No. 86845-27-4
  • Cat. No. CS-W012830
  • Purity ≥98%
  • MDL No. MFCD01631587
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆BrF₃
  • Molecular Weight 239.04
  • Synonym(s) 4-Methyl-3-(trifluoromethyl)bromobenzene
  • SMILES CC1=C(C=C(Br)C=C1)C(F)(F)F

Computational Chemistry Data

  • TPSA   0
  • LogP   3.77632
  • H_Acceptors   0
  • H_Donors   0
  • Rotatable_Bonds   0

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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